benzyl (3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypyrrolidine-1-carboxylate
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기본 정보
- CAS
1203566-76-0- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O- InChIKey
CMXBVXJSFDXHTE-ZIAGYGMSSA-N- 분자식
- C17H24N2O5
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 336.16852187
이름 및 식별자
- 우선 이름
- benzyl (3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypyrrolidine-1-carboxylate
- IUPAC
- benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
- 영어명
- (3R,4R)-3-tert-Butoxycarbonylamino-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl ester
- 분자식
- C17H24N2O5
- 분자량
- 336.38
이름 및 동의어
1203566-76-0benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-pyrrolidine-1-carboxylateMFCD31540254benzyl (3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypyrrolidine-1-carboxylate(3R,4R)-3-tert-Butoxycarbonylamino-4-hydroxy-pyrrolidine-1-carboxylic acid benzyl esterBenzyl (3R,4R)-3-(t-butoxycarbonylamino)-4-hydroxy-pyrrolidine-1-carboxylate(3R,4R)-3-tert-Butoxycarbonylamino-4-hydroxy-pyrrolidine-1-carboxylicacidbenzylester870632-88-5benzyl (3R,4R)-3-[(tert-butoxycarbonyl)amino]-4-hydroxypyrrolidine-1-carboxylateSCHEMBL1359584YQF3167CMXBVXJSFDXHTE-ZIAGYGMSSA-N
이름 더 보기
benzyl (3R,4R)-3-(tert-butoxycarbonylamino)-4-hydroxy-pyrrolidine-1-carboxylate - [B81643]1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, phenylmethyl ester, (3R,4R)-
rel-Benzyl (3R,4R)-3-((tert-butoxycarbonyl)amino)-4-hydroxypyrrolidine-1-carboxylatePS-20088SY323926CS-0342122D97038F737235(3R,4R)-1-Cbz-3-(Boc-amino)-4-hydroxypyrrolidine(3R,4R)-3-(Boc-amino)-1-Cbz-4-hydroxy-pyrrolidine
데이터베이스 식별자
- CAS
1203566-76-0- PubChem CID
- 59640637
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 88.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 443
물리화학적 성질
- 끓는 점
- 501 · 501.0±50.0 °C(Predicted)
- 밀도
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.72 · 11.72±0.40(Predicted)
관련 반응
3건
화합물 노트
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